Geometry & MOs

Info

ID:	421619
PubChem CID:	135116308
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	704.389748
ΔH_f, kcal/mol:	-96.12
Dipole, Da:	2.08
IP(EA), eV:	-9.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,6S,9R,12S,18S,20R)-9-benzyl-20-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,11,17-pentaoxo-1,4,7,10,16-pentazabicyclo[16.3.0]henicosan-12-yl]-2-methyl-2-phenylpropanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC(=O)N(C1)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC(=O)N(C1)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):